2-N-(3-methoxyphenyl)-4-N-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

C21H22N4O — CID 50913054

IUPAC2-N-(3-methoxyphenyl)-4-N-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cccc(OC)c2)nc2c1CCC2c1ccccc1
InChIInChI=1S/C21H22N4O/c1-22-20-18-12-11-17(14-7-4-3-5-8-14)19(18)24-21(25-20)23-15-9-6-10-16(13-15)26-2/h3-10,13,17H,11-12H2,1-2H3,(H2,22,23,24,25)
InChIKeyKCJKHYDAUBQEMT-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.35
Rot. Bonds5

About 2-N-(3-methoxyphenyl)-4-N-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

2-N-(3-methoxyphenyl)-4-N-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine (PubChem CID 50913054) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-N-(3-methoxyphenyl)-4-N-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-methoxyphenyl)-4-N-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
PubChem CID50913054
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-N-(3-methoxyphenyl)-4-N-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cccc(OC)c2)nc2c1CCC2c1ccccc1
InChIInChI=1S/C21H22N4O/c1-22-20-18-12-11-17(14-7-4-3-5-8-14)19(18)24-21(25-20)23-15-9-6-10-16(13-15)26-2/h3-10,13,17H,11-12H2,1-2H3,(H2,22,23,24,25)
InChIKeyKCJKHYDAUBQEMT-UHFFFAOYSA-N
XLogP4.35
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-(3-methoxyphenyl)-4-N-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-[4-(2-chloro-4-pyridinyl)-3-methoxyphenyl]-4-N-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 58075820
(7R)-2-N-(4-isocyano-3-methoxyphenyl)-7-(2-methoxyphenyl)-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 123291400
2-N-[4-[4-(difluoromethyl)imidazol-1-yl]-3-methoxyphenyl]-7-(4-fluorophenyl)-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 50912914
(7R)-2-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-N-methyl-7-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 58075303
(7R)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;(7S)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 158719746
(7R)-7-(2,4-difluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 58075630
2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30317656
2-N-(3-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride
CID 2951909
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
3-(3-methoxyanilino)-4-(methylamino)cyclobut-3-ene-1,2-dione
CID 135173403
2-N-[3-(4-methoxyphenyl)phenyl]-4-N,6-N-bis(3-phenylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 59030065
3,4-bis(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CID 2824412

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxyphenyl)-4-N-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-methoxyphenyl)-4-N-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine (CID 50913054) is 2-N-(3-methoxyphenyl)-4-N-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-methoxyphenyl)-4-N-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-methoxyphenyl)-4-N-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine is CNc1nc(Nc2cccc(OC)c2)nc2c1CCC2c1ccccc1.
What is the InChIKey of 2-N-(3-methoxyphenyl)-4-N-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The InChIKey is KCJKHYDAUBQEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-22-20-18-12-11-17(14-7-4-3-5-8-14)19(18)24-21(25-20)23-15-9-6-10-16(13-15)26-2/h3-10,13,17H,11-12H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-N-(3-methoxyphenyl)-4-N-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
2-N-(3-methoxyphenyl)-4-N-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine has a molecular weight of 346.43 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxyphenyl)-4-N-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 50913054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).